KEGG   COMPOUND: C08565
Entry
C08565                      Compound                               

Name
Portulacaxanthin II
Formula
C18H18N2O7
Exact mass
374.1114
Mol weight
374.3447
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.18.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08565  Portulacaxanthin II
Other DBs
CAS: 135545-98-1
PubChem: 10758
ChEBI: 8341
KNApSAcK: C00001604
3DMET: B02226
NIKKAJI: J410.417J
KCF data

ATOM        27
            1   C2y C    27.9351  -18.6191
            2   C1x C    26.6409  -19.3070
            3   C2x C    29.1418  -19.3244
            4   C2b C    27.9410  -17.2200
            5   C1y C    26.6993  -20.7061
            6   C2y C    29.1301  -20.7294
            7   C2b C    26.7400  -16.5147
            8   N1x N    27.9117  -21.4231
            9   C6a C    25.4868  -21.3997
            10  C6a C    30.3311  -21.4407
            11  N2b N    26.7284  -15.1039
            12  O6a O    24.2858  -20.6885
            13  O6a O    25.4635  -22.8048
            14  O6a O    30.3135  -22.8455
            15  O6a O    31.5495  -20.7468
            16  C1c C    27.5505  -13.9730
            17  C1b C    26.7284  -12.8421
            18  C6a C    28.9437  -13.9730
            19  C8y C    25.3992  -13.2793
            20  O6a O    29.6373  -15.1797
            21  O6a O    29.6373  -12.7488
            22  C8x C    24.1868  -12.5739
            23  C8x C    25.3992  -14.6725
            24  C8x C    22.9801  -13.2793
            25  C8x C    24.1868  -15.3780
            26  C8y C    22.9801  -14.6842
            27  O1a O    21.7617  -15.3721
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Down
            9     6  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   16  17 1
            17   16  18 1 #Up
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   19  23 2
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27    6   8 1
            28   25  26 2

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